ethyl 7-bromanyl-6-methoxy-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-bromanyl-6-methoxy-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-7-bromo-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-bromo-6-methoxy-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylphenyl)-7-bromo-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-7-bromo-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H26BrN3O3 MolecularWeight: 556.44974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)CC4=CC=CC=C4)Br)OC)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)CC4=CC=CC=C4)Br)OC)CN5C=NC=N5

InChI

InChI=1S/C30H26BrN3O3/c1-3-37-30(35)29-24(17-34-19-32-18-33-34)14-23-15-27(36-2)26(31)16-25(23)28(29)22-11-7-10-21(13-22)12-20-8-5-4-6-9-20/h4-11,13-16,18-19H,3,12,17H2,1-2H3